[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane

C15H25BrO4Si — CID 11222641

IUPAC[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(Br)C2(OCCCO2)[C@H]2O[C@@H]12
InChIInChI=1S/C15H25BrO4Si/c1-14(2,3)21(4,5)20-10-9-11(16)15(13-12(10)19-13)17-7-6-8-18-15/h9-10,12-13H,6-8H2,1-5H3/t10-,12-,13-/m0/s1
InChIKeyHYUVZEDHGBUSLC-DRZSPHRISA-N
MW377.35 g/mol
LogP3.57
Rot. Bonds2

About [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane

[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11222641) has the molecular formula C15H25BrO4Si and a molecular weight of 377.35 g/mol. Its IUPAC name is [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11222641
Molecular FormulaC15H25BrO4Si
Molecular Weight377.35 g/mol
Exact Mass376.07
IUPAC Name[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(Br)C2(OCCCO2)[C@H]2O[C@@H]12
InChIInChI=1S/C15H25BrO4Si/c1-14(2,3)21(4,5)20-10-9-11(16)15(13-12(10)19-13)17-7-6-8-18-15/h9-10,12-13H,6-8H2,1-5H3/t10-,12-,13-/m0/s1
InChIKeyHYUVZEDHGBUSLC-DRZSPHRISA-N
XLogP3.57
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
CID 11060812
[(3aR,4S,5S,7aS)-7-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 11071047
(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341
(3aS,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid
CID 58864889
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101083262
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
[(6R,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 135013965
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
CID 125034296
CID 125034296

Frequently Asked Questions

What is the IUPAC name of [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane (CID 11222641) is [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C=C(Br)C2(OCCCO2)[C@H]2O[C@@H]12.
What is the InChIKey of [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HYUVZEDHGBUSLC-DRZSPHRISA-N. The full InChI is InChI=1S/C15H25BrO4Si/c1-14(2,3)21(4,5)20-10-9-11(16)15(13-12(10)19-13)17-7-6-8-18-15/h9-10,12-13H,6-8H2,1-5H3/t10-,12-,13-/m0/s1.
What are the key properties of [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane?
[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 377.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11222641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).